Information card for entry 7004564

Structure parameters

• Formula: C64 H64 N16 O16 Pb4
• Calculated formula: C64 H64 N16 O16 Pb4
• SMILES: [Pb]123456[n]7c(C(=O)O4)cccc7C[NH]1CC[NH]2Cc1cccc([n]31)C(=O)[O]5[Pb]12345[n]7c(C(=O)O4)cccc7C[NH]1CC[NH]2Cc1cccc([n]31)C(=O)[O]5[Pb]12345[n]7c(C(=O)O4)cccc7C[NH]1CC[NH]2Cc1cccc([n]31)C(=O)[O]5[Pb]12345[n]7c(C(=O)O4)cccc7C[NH]1CC[NH]2Cc1cccc([n]31)C(=O)[O]56
• Title of publication: Zn(ii), Cd(ii) and Pb(ii) complexation with pyridinecarboxylate containing ligands
• Authors of publication: Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Platas-Iglesias, Carlos; de Blas, Andrés; Rodríguez-Blas, Teresa
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5754 - 5765
• a: 26.9308 ± 0.0016 Å
• b: 26.9308 ± 0.0016 Å
• c: 11.4732 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8321.1 ± 1.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No